Reference

mpqc(3)

The MPQC Program The Massively Parallel Quantum Chemistry program (MPQC) computes the properties of molecules, ab initio, on a wide variety of computer architectures.

NAME

mpqc - The MPQC Program The Massively Parallel Quantum Chemistry program (MPQC) computes the properties of molecules, ab initio, on a wide variety of computer architectures.

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MPQC Overview

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Compiling MPQC

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Running MPQC

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MPQC Input

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Validating MPQC

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Running Psi 3 from MPQC

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MPQC License

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MPQC Warranty